CID 146035004

3-fluoro-2-methoxy-5-methylphenylboronic acid

Structural Information

Molecular Formula
C8H10BFO3
SMILES
B(C1=CC(=CC(=C1OC)F)C)(O)O
InChI
InChI=1S/C8H10BFO3/c1-5-3-6(9(11)12)8(13-2)7(10)4-5/h3-4,11-12H,1-2H3
InChIKey
YXYWJHKJYGRWRI-UHFFFAOYSA-N
Compound name
(3-fluoro-2-methoxy-5-methylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.07071 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07799 133.9
[M+Na]+ 207.05993 143.0
[M-H]- 183.06343 134.4
[M+NH4]+ 202.10453 153.1
[M+K]+ 223.03387 141.1
[M+H-H2O]+ 167.06797 128.2
[M+HCOO]- 229.06891 154.2
[M+CH3COO]- 243.08456 178.7
[M+Na-2H]- 205.04538 137.4
[M]+ 184.07016 133.7
[M]- 184.07126 133.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.